diff -Naur lammps-30Nov08/doc/fix_wiggle.html lammps-1Dec08/doc/fix_wiggle.html
--- lammps-30Nov08/doc/fix_wiggle.html 2007-10-10 16:28:11.000000000 -0600
+++ lammps-1Dec08/doc/fix_wiggle.html 2008-12-02 13:50:15.000000000 -0700
@@ -23,7 +23,7 @@
Examples:
-fix 1 frozen wiggle 3.0 0.5
+fix 1 frozen wiggle y 3.0 0.5
Description:
@@ -40,6 +40,11 @@
elapsed time since the fix was specified. The velocity of the atom is
set to the derivative of this expression.
+Note that if a value of A > 0 is specified, each wiggling atom does
+not oscillate around its initial position, but moves entirely in the
+positive direction relative to its initial position. This is so that
+its initial velocity will be 0.0.
+
Restart, fix_modify, output, run start/stop, minimize info:
No information about this fix is written to binary restart
diff -Naur lammps-30Nov08/doc/fix_wiggle.txt lammps-1Dec08/doc/fix_wiggle.txt
--- lammps-30Nov08/doc/fix_wiggle.txt 2007-10-10 16:28:11.000000000 -0600
+++ lammps-1Dec08/doc/fix_wiggle.txt 2008-12-02 13:50:15.000000000 -0700
@@ -20,7 +20,7 @@
[Examples:]
-fix 1 frozen wiggle 3.0 0.5 :pre
+fix 1 frozen wiggle y 3.0 0.5 :pre
[Description:]
@@ -37,6 +37,11 @@
elapsed time since the fix was specified. The velocity of the atom is
set to the derivative of this expression.
+Note that if a value of A > 0 is specified, each wiggling atom does
+not oscillate around its initial position, but moves entirely in the
+positive direction relative to its initial position. This is so that
+its initial velocity will be 0.0.
+
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart
diff -Naur lammps-30Nov08/src/comm.h lammps-1Dec08/src/comm.h
--- lammps-30Nov08/src/comm.h 2008-08-21 07:53:19.000000000 -0600
+++ lammps-1Dec08/src/comm.h 2008-12-02 13:18:37.000000000 -0700
@@ -28,8 +28,10 @@
int procneigh[3][2]; // my 6 neighboring procs
int nswap; // # of swaps to perform
int need[3]; // procs I need atoms from in each dim
- int maxforward_fix,maxreverse_fix; // comm sizes called from Fix,Pair
- int maxforward_pair,maxreverse_pair;
+ int maxforward_fix; // comm sizes called from Fix,Pair
+ int maxreverse_fix;
+ int maxforward_pair;
+ int maxreverse_pair;
double cutghost[3]; // cutoffs used for acquiring ghost atoms
Comm(class LAMMPS *);
diff -Naur lammps-30Nov08/src/fix_wiggle.cpp lammps-1Dec08/src/fix_wiggle.cpp
--- lammps-30Nov08/src/fix_wiggle.cpp 2007-10-10 16:22:16.000000000 -0600
+++ lammps-1Dec08/src/fix_wiggle.cpp 2008-12-02 13:47:15.000000000 -0700
@@ -114,7 +114,7 @@
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
x[i][axis] = original[i] + amplitude - amplitude*cosine;
- v[i][axis] = dt * amplitude*omega*sine;
+ v[i][axis] = amplitude*omega*sine;
f[i][axis] = 0.0;
}
}
diff -Naur lammps-30Nov08/src/lammps.cpp lammps-1Dec08/src/lammps.cpp
--- lammps-30Nov08/src/lammps.cpp 2008-11-21 09:22:43.000000000 -0700
+++ lammps-1Dec08/src/lammps.cpp 2008-12-01 18:00:38.000000000 -0700
@@ -309,8 +309,8 @@
// when force->pair->gran_history creates fix ??
modify->init(); // modify must come after update, force, atom, domain
neighbor->init(); // neighbor must come after force, modify
+ comm->init(); // comm must come after force, modify, neighbor
output->init(); // output must come after domain, force, modify
- comm->init(); // comm must come after force, modify
timer->init();
}
diff -Naur lammps-30Nov08/src/thermo.cpp lammps-1Dec08/src/thermo.cpp
--- lammps-30Nov08/src/thermo.cpp 2008-03-17 17:37:19.000000000 -0600
+++ lammps-1Dec08/src/thermo.cpp 2008-12-02 13:18:44.000000000 -0700
@@ -224,7 +224,8 @@
int ivariable;
for (i = 0; i < nvariable; i++) {
ivariable = input->variable->find(id_variable[i]);
- if (ivariable < 0) error->all("Could not find thermo custom variable name");
+ if (ivariable < 0)
+ error->all("Could not find thermo custom variable name");
variables[i] = ivariable;
}